N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide

C16H13ClN2O5 — CID 34743749

IUPACN-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
SMILESCc1c(Cl)cccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C=O
InChIInChI=1S/C16H13ClN2O5/c1-10-13(17)3-2-4-14(10)18-16(21)9-24-15-6-5-12(19(22)23)7-11(15)8-20/h2-8H,9H2,1H3,(H,18,21)
InChIKeyBFCSYMSXNFBKMY-UHFFFAOYSA-N
MW348.74 g/mol
LogP3.39
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide

N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide (PubChem CID 34743749) has the molecular formula C16H13ClN2O5 and a molecular weight of 348.74 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
PubChem CID34743749
Molecular FormulaC16H13ClN2O5
Molecular Weight348.74 g/mol
Exact Mass348.05
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
SMILESCc1c(Cl)cccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C=O
InChIInChI=1S/C16H13ClN2O5/c1-10-13(17)3-2-4-14(10)18-16(21)9-24-15-6-5-12(19(22)23)7-11(15)8-20/h2-8H,9H2,1H3,(H,18,21)
InChIKeyBFCSYMSXNFBKMY-UHFFFAOYSA-N
XLogP3.39
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34744103
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743716
N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325346
N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 28913395
N-(2-chlorophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7577886
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide
CID 35942555
4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide
CID 27972767
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 4931207
2-(4-bromo-2-formylphenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7820278
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide (CID 34743749) is N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide is Cc1c(Cl)cccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
The InChIKey is BFCSYMSXNFBKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O5/c1-10-13(17)3-2-4-14(10)18-16(21)9-24-15-6-5-12(19(22)23)7-11(15)8-20/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide?
N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide has a molecular weight of 348.74 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 34743749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).